1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride

C15H26BrCl2N3 — CID 171307679

IUPAC1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1ccc(Br)cn1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24BrN3.2ClH/c1-2-3-4-5-15(19-10-8-17-9-11-19)14-7-6-13(16)12-18-14;;/h6-7,12,15,17H,2-5,8-11H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyMSJMFFFACOESNA-QCUBGVIVSA-N
MW399.20 g/mol
LogP4.21
Rot. Bonds6

About 1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride

1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride (PubChem CID 171307679) has the molecular formula C15H26BrCl2N3 and a molecular weight of 399.20 g/mol. Its IUPAC name is 1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride
PubChem CID171307679
Molecular FormulaC15H26BrCl2N3
Molecular Weight399.20 g/mol
Exact Mass397.07
IUPAC Name1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1ccc(Br)cn1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H24BrN3.2ClH/c1-2-3-4-5-15(19-10-8-17-9-11-19)14-7-6-13(16)12-18-14;;/h6-7,12,15,17H,2-5,8-11H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyMSJMFFFACOESNA-QCUBGVIVSA-N
XLogP4.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.20
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(5-bromo-2-pyridinyl)butyl]piperazine
CID 171276282
1-[(1R)-1-(5-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171288884
1-[(1S)-1-(5-bromo-2-pyridinyl)propyl]piperazine
CID 131317744
1-[(1S)-1-(5-bromo-2-pyridinyl)-2-fluoroethyl]piperazine
CID 131260384
1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine
CID 171276286
1-[(1S)-1-(6-bromo-3-pyridinyl)hexyl]piperazine;dihydrochloride
CID 171308984
1-[(1S)-1-(6-bromo-2-pyridinyl)hexyl]piperazine
CID 171308991
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304455
1-[(1S)-1-(5-bromo-2-chlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309040
1-[(1R)-1-(5-bromo-3-pyridinyl)hexyl]piperazine
CID 171307316
1-[(1R)-1-(5-bromo-2-pyridinyl)-2-methylbutyl]piperazine
CID 171304454
5-bromo-2-[(1R)-1-piperazin-1-ylhexyl]phenol
CID 171307789

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride (CID 171307679) is 1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride is CCCCC[C@H](c1ccc(Br)cn1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride?
The InChIKey is MSJMFFFACOESNA-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H24BrN3.2ClH/c1-2-3-4-5-15(19-10-8-17-9-11-19)14-7-6-13(16)12-18-14;;/h6-7,12,15,17H,2-5,8-11H2,1H3;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride?
1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride has a molecular weight of 399.20 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-bromo-2-pyridinyl)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171307679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).